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Updated: Jun 3, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

アンカーユニットによって乱された分子伝導性の軌道上の眺め

Yuta Tsuji1, Aleksandar Staykov, Kazunari Yoshizawa

  • 1Institute for Materials Chemistry and Engineering and International Research Center for Molecular Systems, Kyushu University, Fukuoka 819-0395, Japan.

Journal of the American Chemical Society
|March 26, 2011
PubMed
まとめ

この研究では,分子軌道分析を使用してベンゼン誘導体における電子輸送を調査しています. 硫黄のアンカリング原子は,分子電子設計の理論的予測と一致して,電子輸送に影響を与えます.

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